Hg8N4O16

Hg8N4O16 is a stable, semiconducting inorganic compound containing mercury, nitrogen, and oxygen.

HgNO
Crystal structure of Hg8N4O16 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

About Hg8N4O16

Hg8N4O16 is a complex inorganic compound composed of mercury, nitrogen, and oxygen. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement within its chemical system.

This material exhibits semiconducting electronic characteristics, making it a subject of interest for specialized electronic and optoelectronic research. Its structural diversity is highlighted by multiple reported configurations across major materials databases.

At a glance

Key Properties

Cross-validated computational properties for Hg8N4O16, aggregated across 3 databases.

Band Gap

1.57 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Hg8N4O16, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic1.570.0000-4.8477.41
P21/c (No. 14)
P-1 (No. 2)
P-1 (No. 2)
6.79
Uses

Applications

Where Hg8N4O16 is used.

Semiconductor researchMaterials science explorationSolid-state chemistry
Reference

Frequently Asked Questions

Common questions about Hg8N4O16, answered from cross-validated data.

What is Hg8N4O16?

Hg8N4O16 is a stable, semiconducting inorganic compound containing mercury, nitrogen, and oxygen.

More questions
What is Hg8N4O16 used for?
Hg8N4O16 is used in semiconductor research, materials science exploration, and solid-state chemistry.
What is the band gap of Hg8N4O16?
Hg8N4O16 has a DFT-computed band gap of 1.57 eV across 5 reported structures.
Is Hg8N4O16 a metal, semiconductor, or insulator?
With a band gap up to 1.57 eV it is a semiconductor.
Is Hg8N4O16 thermodynamically stable?
Yes — Hg8N4O16 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Hg8N4O16?
The lowest-energy reported polymorph of Hg8N4O16 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Hg8N4O16?
The computed density of the ground-state structure of Hg8N4O16 is 7.41 g/cm³.
How many polymorphs of Hg8N4O16 are known?
5 structures of Hg8N4O16 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Hg8N4O16 contain?
Hg8N4O16 contains Hg, N, and O (3 elements).
Where does the data for Hg8N4O16 come from?
Hg8N4O16 data is cross-referenced from materials_project, aflow, omat24.
Comparison

How It Compares

As a unique inorganic phase, Hg8N4O16 serves as a critical reference point for mercury-based nitrogen-oxygen frameworks, representing a stable endpoint in its compositional space.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).

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